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CAS Num: 084012-64-6
SMILES : C(C1=C(C(CC1)C(=C)C)CC(C)(C)COC(=O)CC)
CHEM : 1-Cyclopentene-1-propanol, , ,2-trimethyl-5-(1-methylethenyl)-, prop
anoate
MOL FOR: C17 H28 O2
MOL WT : 264.41
------------------------------ EPI SUMMARY (v4.00) --------------------------
Physical Property Inputs:
Water Solubility (mg/L): ------
Vapor Pressure (mm Hg) : ------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 6.77
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 310.47 (Adapted Stein & Brown method)
Melting Pt (deg C): 70.77 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000414 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0551 (Modified Grain method)
Subcooled liquid VP: 0.00112 mm Hg (25 deg C, Mod-Grain method)
: 0.149 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 0.03258
log Kow used: 6.77 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.48933 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.40E-003 atm-m3/mole (4.46E+002 Pa-m3/mole)
Group Method: Incomplete
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 4.421E-003 atm-m3/mole (4.480E+002 Pa-m3/mole)
VP: 0.000414 mm Hg (source: MPBPVP)
WS: 0.0326 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 6.77 (KowWin est)
Log Kaw used: -0.745 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.515
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6119
Biowin2 (Non-Linear Model) : 0.8335
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.5429 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5418 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5514
Biowin6 (MITI Non-Linear Model): 0.3832
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.0062
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.149 Pa (0.00112 mm Hg)
Log Koa (Koawin est ): 7.515
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.01E-005
Octanol/air (Koa) model: 8.04E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000725
Mackay model : 0.0016
Octanol/air (Koa) model: 0.000642
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 168.6171 E-12 cm3/molecule-sec
Half-Life = 0.063 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.761 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 121.199997 E-17 cm3/molecule-sec
Half-Life = 0.009 Days (at 7E11 mol/cm3)
Half-Life = 13.616 Min
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
0.00116 (Junge-Pankow, Mackay avg)
0.000642 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 7447 L/kg (MCI method)
Log Koc: 3.872 (MCI method)
Koc : 4.02E+004 L/kg (Kow method)
Log Koc: 4.604 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 3.374E-002 L/mol-sec
Kb Half-Life at pH 8: 237.784 days
Kb Half-Life at pH 7: 6.510 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 4.133 (BCF = 1.358e+004 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.5071 days (HL = 3.215 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.768 (BCF = 585.7)
Log BAF Arnot-Gobas method (upper trophic) = 3.323 (BAF = 2103)
log Kow used: 6.77 (estimated)
Volatilization from Water:
Henry LC: 0.0044 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.876 hours
Half-Life from Model Lake : 156.8 hours (6.534 days)
Removal In Wastewater Treatment:
Total removal: 93.80 percent
Total biodegradation: 0.77 percent
Total sludge adsorption: 92.47 percent
Total to Air: 0.56 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.02 0.197 1000
Water 11.4 900 1000
Soil 84.7 1.8e+003 1000
Sediment 3.82 8.1e+003 0
Persistence Time: 808 hr